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Information card for entry 4073493
Preview
| Coordinates | 4073493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 O2 |
|---|---|
| Calculated formula | C9 H12 O2 |
| Title of publication | Chiral Mono- and Bis-annelated Cyclopentadienyl Ligands Derived from Tartaric Acid: Synthesis of [(η5-Cyclopentadienyl)RuCl(cod)] and [(η5-Cyclopentadienyl)(η6-benzene)Ru]PF6Derivatives |
| Authors of publication | McGlacken, Gerard P.; O'Brien, Ciara T.; Whitwood, Adrian C.; Fairlamb, Ian J. S. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 15 |
| Pages of publication | 3722 |
| a | 5.0093 ± 0.0009 Å |
| b | 5.7478 ± 0.001 Å |
| c | 13.953 ± 0.003 Å |
| α | 97.094 ± 0.004° |
| β | 98.241 ± 0.004° |
| γ | 93.637 ± 0.004° |
| Cell volume | 393.2 ± 0.13 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.061 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178623 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/34. |
4073493.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073493.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073493.cif |
| 46374 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073493 via cif-deposit CGI script. |
4073493.cif |
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Users of the data should acknowledge the original authors of the
structural data.